N-[2-(4-chloro-2-nitroanilino)ethyl]-4-methylbenzamide
Chemical Structure Depiction of
N-[2-(4-chloro-2-nitroanilino)ethyl]-4-methylbenzamide
N-[2-(4-chloro-2-nitroanilino)ethyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | 8007-0448 |
| Compound Name: | N-[2-(4-chloro-2-nitroanilino)ethyl]-4-methylbenzamide |
| Molecular Weight: | 333.77 |
| Molecular Formula: | C16 H16 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1)C(NCCNc1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4786 |
| logD: | 3.4786 |
| logSw: | -4.0586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.224 |
| InChI Key: | IOIBGZOPQDZNLI-UHFFFAOYSA-N |